Chemical ID: 5426002

Cc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccccc3F
Chemical ID:
5426002
Name [?]:
N-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccccc3F
InChi [?]:
InChI=1/C18H15FN2OS/c1-12-6-8-13(9-7-12)17(22)21-18-20-11-15(23-18)10-14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,3,7,4,6,16,13,2,5,17,14,22,8,11,23,12,10,9,15/E:(6,7)(8,9)/rA:23nCCCCCCCCONCNCCSCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.50703
Area:526.339
Solvation:-3.65145
Coulombic:-32.0779
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:326.389
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.54
LogP (Chemaxon):4.65

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Descriptor Annotations

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